7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one

C16H18N4O2 — CID 68723516

IUPAC7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cn[nH]c3NC(C)C)[nH]c2c1
InChIInChI=1S/C16H18N4O2/c1-9(2)18-16-12(8-17-20-16)14-7-15(21)11-5-4-10(22-3)6-13(11)19-14/h4-9H,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyWXRVNTAXNNFUDG-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.75
Rot. Bonds4

About 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one

7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one (PubChem CID 68723516) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
PubChem CID68723516
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cn[nH]c3NC(C)C)[nH]c2c1
InChIInChI=1S/C16H18N4O2/c1-9(2)18-16-12(8-17-20-16)14-7-15(21)11-5-4-10(22-3)6-13(11)19-14/h4-9H,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyWXRVNTAXNNFUDG-UHFFFAOYSA-N
XLogP2.75
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(6-methyl-2-pyridinyl)-1H-quinolin-4-one
CID 23003026
CID 87689938
CID 87689938
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
CID 88978515
2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane
CID 142258421
2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
CID 143362238
2-(2,5-dimethoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one
CID 86342219
2-[(Z)-1-amino-2-[1-(propan-2-ylamino)ethenylsulfanyl]ethenyl]-7-methoxy-1H-quinolin-4-one
CID 70305039
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
CID 143056148
7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
CID 141027507

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one (CID 68723516) is 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3cn[nH]c3NC(C)C)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one?
The InChIKey is WXRVNTAXNNFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(2)18-16-12(8-17-20-16)14-7-15(21)11-5-4-10(22-3)6-13(11)19-14/h4-9H,1-3H3,(H,19,21)(H2,17,18,20).
What are the key properties of 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one?
7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one has a molecular weight of 298.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 68723516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).